3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol

C13H16Cl2O3 — CID 107942554

IUPAC3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2O3/c1-2-3-17-13-11(16)7-12(13)18-10-5-8(14)4-9(15)6-10/h4-6,11-13,16H,2-3,7H2,1H3
InChIKeyQPIWPTYQRJQRCB-UHFFFAOYSA-N
MW291.17 g/mol
LogP3.30
Rot. Bonds5

About 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol

3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol (PubChem CID 107942554) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
PubChem CID107942554
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Name3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2O3/c1-2-3-17-13-11(16)7-12(13)18-10-5-8(14)4-9(15)6-10/h4-6,11-13,16H,2-3,7H2,1H3
InChIKeyQPIWPTYQRJQRCB-UHFFFAOYSA-N
XLogP3.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol
CID 107942525
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942588
3-(4-chloro-3-methylphenoxy)-2-propoxycyclobutan-1-ol
CID 107942506
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
1-chloro-3-(3-chloro-2-propoxycyclobutyl)oxybenzene
CID 107942730
3-(1-propan-2-ylpyrazol-4-yl)oxy-2-propoxycyclobutan-1-ol
CID 107942647
3-(2,4-dibromophenoxy)-2-propoxycyclobutan-1-ol
CID 107942604
3-(4-chloro-3-methylphenoxy)-2-ethoxycyclobutan-1-ol
CID 113439889
3-(2,6-dibromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018850
3-(3-chloro-4-fluorophenoxy)-2-propoxycyclobutan-1-amine
CID 107943680
2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
CID 107942520

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol (CID 107942554) is 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is QPIWPTYQRJQRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-2-3-17-13-11(16)7-12(13)18-10-5-8(14)4-9(15)6-10/h4-6,11-13,16H,2-3,7H2,1H3.
What are the key properties of 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol?
3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol has a molecular weight of 291.17 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).